(2S)-2-[[1-(2-ethoxyethyl)cyclobutanecarbonyl]amino]propanoic acid

C12H21NO4 — CID 120525927

IUPAC(2S)-2-[[1-(2-ethoxyethyl)cyclobutanecarbonyl]amino]propanoic acid
SMILESCCOCCC1(C(=O)N[C@@H](C)C(=O)O)CCC1
InChIInChI=1S/C12H21NO4/c1-3-17-8-7-12(5-4-6-12)11(16)13-9(2)10(14)15/h9H,3-8H2,1-2H3,(H,13,16)(H,14,15)/t9-/m0/s1
InChIKeyIPCIQEYRWWBKOB-VIFPVBQESA-N
MW243.30 g/mol
LogP1.17
Rot. Bonds7

About (2S)-2-[[1-(2-ethoxyethyl)cyclobutanecarbonyl]amino]propanoic acid

(2S)-2-[[1-(2-ethoxyethyl)cyclobutanecarbonyl]amino]propanoic acid (PubChem CID 120525927) has the molecular formula C12H21NO4 and a molecular weight of 243.30 g/mol. Its IUPAC name is (2S)-2-[[1-(2-ethoxyethyl)cyclobutanecarbonyl]amino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[[1-(2-ethoxyethyl)cyclobutanecarbonyl]amino]propanoic acid
PubChem CID120525927
Molecular FormulaC12H21NO4
Molecular Weight243.30 g/mol
Exact Mass243.15
IUPAC Name(2S)-2-[[1-(2-ethoxyethyl)cyclobutanecarbonyl]amino]propanoic acid
SMILESCCOCCC1(C(=O)N[C@@H](C)C(=O)O)CCC1
InChIInChI=1S/C12H21NO4/c1-3-17-8-7-12(5-4-6-12)11(16)13-9(2)10(14)15/h9H,3-8H2,1-2H3,(H,13,16)(H,14,15)/t9-/m0/s1
InChIKeyIPCIQEYRWWBKOB-VIFPVBQESA-N
XLogP1.17
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-[[1-(2-methoxyethyl)cyclopropanecarbonyl]amino]propanoic acid
CID 120526982
(2R)-2-[[1-(aminomethyl)cyclopentanecarbonyl]amino]propanoic acid
CID 115435215
3-[[1-(2-ethoxyethyl)cyclobutanecarbonyl]amino]-4-methylbenzoic acid
CID 120522310
(2S)-2-[[1-[[[(1R)-1-aminoethyl]-hydroxyphosphoryl]methyl]cyclopentanecarbonyl]amino]propanoic acid
CID 155557826
(2S)-2-[(3-ethylpyrrolidine-3-carbonyl)amino]propanoic acid
CID 63141520
1-[1-(2-ethoxyethyl)cyclobutanecarbonyl]-4-hydroxypiperidine-4-carboxylic acid
CID 120528116
1-(2-ethoxyethyl)-4,4-dimethylcyclohexane-1-carboxylic acid
CID 65390385
N-[(2R)-2-(ethylamino)propyl]-1-(2-methoxyethyl)cyclobutane-1-carboxamide;hydrochloride
CID 120654180
2-[(1-methylcyclohexanecarbonyl)amino]propanoic acid
CID 21354705
1-amino-N-(1-ethoxypropan-2-yl)cyclobutane-1-carboxamide
CID 81168256
2-[4-[[1-(2-ethoxyethyl)cyclopentanecarbonyl]amino]-2-fluorophenyl]acetic acid
CID 122109763
[1-(2-ethoxyethyl)cyclopentyl]methanol
CID 66023683

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[1-(2-ethoxyethyl)cyclobutanecarbonyl]amino]propanoic acid?
The IUPAC name of (2S)-2-[[1-(2-ethoxyethyl)cyclobutanecarbonyl]amino]propanoic acid (CID 120525927) is (2S)-2-[[1-(2-ethoxyethyl)cyclobutanecarbonyl]amino]propanoic acid.
What is the SMILES notation for (2S)-2-[[1-(2-ethoxyethyl)cyclobutanecarbonyl]amino]propanoic acid?
The canonical SMILES for (2S)-2-[[1-(2-ethoxyethyl)cyclobutanecarbonyl]amino]propanoic acid is CCOCCC1(C(=O)N[C@@H](C)C(=O)O)CCC1.
What is the InChIKey of (2S)-2-[[1-(2-ethoxyethyl)cyclobutanecarbonyl]amino]propanoic acid?
The InChIKey is IPCIQEYRWWBKOB-VIFPVBQESA-N. The full InChI is InChI=1S/C12H21NO4/c1-3-17-8-7-12(5-4-6-12)11(16)13-9(2)10(14)15/h9H,3-8H2,1-2H3,(H,13,16)(H,14,15)/t9-/m0/s1.
What are the key properties of (2S)-2-[[1-(2-ethoxyethyl)cyclobutanecarbonyl]amino]propanoic acid?
(2S)-2-[[1-(2-ethoxyethyl)cyclobutanecarbonyl]amino]propanoic acid has a molecular weight of 243.30 g/mol, XLogP of 1.17, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[1-(2-ethoxyethyl)cyclobutanecarbonyl]amino]propanoic acid is sourced from PubChem (CID 120525927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).